(E)-(4-bromophenyl)-[3-(2-ethoxy-2-oxidanylidene-ethyl)-4-pyridin-1-ium-1-yl-5-sulfanylidene-thiophen-2-ylidene]methanolate

Systemtic Name: (E)-(4-bromophenyl)-[3-(2-ethoxy-2-oxidanylidene-ethyl)-4-pyridin-1-ium-1-yl-5-sulfanylidene-thiophen-2-ylidene]methanolate Openeye Name: (E)-(4-bromophenyl)-[3-(2-ethoxy-2-oxo-ethyl)-4-pyridin-1-ium-1-yl-5-thioxo-2-thienylidene]methanolate CAS Name: (E)-(4-bromophenyl)-[3-(2-ethoxy-2-oxoethyl)-4-(1-pyridin-1-iumyl)-5-sulfanylidene-2-thiophenylidene]methanolate IUPAC Name: (E)-(4-bromophenyl)-[3-(2-ethoxy-2-oxoethyl)-4-pyridin-1-ium-1-yl-5-sulfanylidenethiophen-2-ylidene]methanolate Traditional Name: (E)-(4-bromophenyl)-[3-(2-ethoxy-2-keto-ethyl)-4-pyridin-1-ium-1-yl-5-thioxo-2-thienylidene]methanolate Formula: C20H16BrNO3S2 MolecularWeight: 462.37994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C(=S)SC1=C(C2=CC=C(C=C2)Br)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC\1=C(C(=S)S/C1=C(\C2=CC=C(C=C2)Br)/[O-])[N+]3=CC=CC=C3

InChI

InChI=1S/C20H16BrNO3S2/c1-2-25-16(23)12-15-17(22-10-4-3-5-11-22)20(26)27-19(15)18(24)13-6-8-14(21)9-7-13/h3-11H,2,12H2,1H3